2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide

C16H26N2O2S — CID 81303161

IUPAC2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide
SMILESCc1c(NC2CCC(C)(C)CC2C)cccc1S(N)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-11-10-16(3,4)9-8-13(11)18-14-6-5-7-15(12(14)2)21(17,19)20/h5-7,11,13,18H,8-10H2,1-4H3,(H2,17,19,20)
InChIKeyWMHISGZRNCXZCJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.27
Rot. Bonds3

About 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide

2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide (PubChem CID 81303161) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide
PubChem CID81303161
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide
SMILESCc1c(NC2CCC(C)(C)CC2C)cccc1S(N)(=O)=O
InChIInChI=1S/C16H26N2O2S/c1-11-10-16(3,4)9-8-13(11)18-14-6-5-7-15(12(14)2)21(17,19)20/h5-7,11,13,18H,8-10H2,1-4H3,(H2,17,19,20)
InChIKeyWMHISGZRNCXZCJ-UHFFFAOYSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide (CID 81303161) is 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide is Cc1c(NC2CCC(C)(C)CC2C)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is WMHISGZRNCXZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-10-16(3,4)9-8-13(11)18-14-6-5-7-15(12(14)2)21(17,19)20/h5-7,11,13,18H,8-10H2,1-4H3,(H2,17,19,20).
What are the key properties of 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide?
2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 81303161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).